[gmx-users] Cluster size and aggregation number calculation

Justin Lemkul jalemkul at vt.edu
Tue Aug 5 18:21:39 CEST 2014

On 8/5/14, 10:18 AM, Praveen Kumar wrote:
> Hi,
> I am new to Gromacs. Can anybody help me to tell how to calculate  cluster
> size and aggregation number in a liquid?

Try g_clustsize.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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